N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide

C18H23N3O — CID 25341826

IUPACN-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide
SMILESCn1ccnc1[C@H](NC(=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C18H23N3O/c1-21-13-12-19-17(21)16(14-8-4-2-5-9-14)20-18(22)15-10-6-3-7-11-15/h2,4-5,8-9,12-13,15-16H,3,6-7,10-11H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyZQCNGSHGRGQPNP-MRXNPFEDSA-N
MW297.40 g/mol
LogP3.21
Rot. Bonds4

About N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide

N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide (PubChem CID 25341826) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide
PubChem CID25341826
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide
SMILESCn1ccnc1[C@H](NC(=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C18H23N3O/c1-21-13-12-19-17(21)16(14-8-4-2-5-9-14)20-18(22)15-10-6-3-7-11-15/h2,4-5,8-9,12-13,15-16H,3,6-7,10-11H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyZQCNGSHGRGQPNP-MRXNPFEDSA-N
XLogP3.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 25406313
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 110429513
(1S)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohex-3-ene-1-carboxamide
CID 25341556
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 25341765
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 46528505
1-N,1-N-diethyl-4-N-[(1-methylimidazol-2-yl)-phenylmethyl]piperidine-1,4-dicarboxamide
CID 55718362
(3R)-1-(4-fluorobenzoyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-3-carboxamide
CID 51927315
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 51269183
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 25341762
1-(4-chlorophenyl)sulfonyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-4-carboxamide
CID 25366246
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
CID 17490913
(3R)-3-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 27035334

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide?
The IUPAC name of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide (CID 25341826) is N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide is Cn1ccnc1[C@H](NC(=O)C1CCCCC1)c1ccccc1.
What is the InChIKey of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide?
The InChIKey is ZQCNGSHGRGQPNP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O/c1-21-13-12-19-17(21)16(14-8-4-2-5-9-14)20-18(22)15-10-6-3-7-11-15/h2,4-5,8-9,12-13,15-16H,3,6-7,10-11H2,1H3,(H,20,22)/t16-/m1/s1.
What are the key properties of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide?
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide is sourced from PubChem (CID 25341826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).